%chk=000114086.chk
%nprocshared=8
%mem=28GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114086

0 1
 O   -1.017800     -0.7391000      -1.063400    
 O    1.075800      -2.491200      -1.325600    
 O    4.709700       3.044900      9.5200002E-02
 N   -3.242500      0.8546000      -1.360600    
 C    2.800500      0.4174000      0.1537000    
 C    2.597500     -0.8731000     -0.3904000    
 C    4.090400      0.7962000      0.5600000    
 C    1.307500      -1.251900     -0.7967000    
 C   0.2332000     -0.3713000     -0.6683000    
 C    1.707700       1.291100      0.2752000    
 C    3.690200      -1.746800     -0.5124000    
 C   0.4330000      0.8980000     -0.1336000    
 C    5.164600     -8.5000001E-02  0.4319000    
 C    4.374900       2.146000       1.142700    
 C   -2.017800     -0.7447000     -0.1065000    
 C    4.964800      -1.354000     -0.1033000    
 C   -3.127200      6.4499997E-02 -0.2764000    
 C   -4.120100      2.5000000E-02  0.7249000    
 C   -1.853000      -1.576700      0.9933000    
 C   -3.966900     -0.8116000       1.843600    
 C   -2.834600      -1.610300       1.976000    
 C   -5.249800      0.8388000      0.5663000    
 C   -5.371500       1.654000     -0.5499000    
 C   -4.348500       1.625000      -1.475800    
 H    1.804200       2.298700      0.6674000    
 H    3.596600      -2.741800     -0.9381000    
 H  -0.3890000       1.602700     -3.9700001E-02
 H    6.165300      0.2053000      0.7416000    
 H    3.558700       2.556000       1.743300    
 H    5.234100       2.096200       1.822000    
 H    5.802600      -2.037500     -0.2070000    
 H  -0.9790000      -2.212800       1.098800    
 H   -4.729900     -0.8462000       2.618200    
 H   -2.721200      -2.257600       2.840200    
 H   -6.041400      0.8420000       1.312100    
 H    1.689400      -3.137800     -0.9431000    
 H   -6.238100       2.289700     -0.6884000    
 H   -4.388500       2.241100      -2.368100    
 H    3.979900       3.045900     -0.5473000    


%chk=000114086-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000114086

0 1
O -1.052082 0.943655 -0.277271
O 0.232348 -1.476319 -0.846482
O 5.553663 2.750231 -0.036516
N -3.567326 1.119305 -1.320862
C 3.141638 0.621092 0.406549
C 2.420610 -0.529893 -0.104625
C 4.575650 0.532996 0.573257
C 0.997631 -0.430600 -0.317607
C 0.313850 0.750144 0.018043
C 2.406746 1.815081 0.714006
C 3.140560 -1.738359 -0.386664
C 1.025069 1.869380 0.531895
C 5.237553 -0.662179 0.269533
C 5.367645 1.743751 1.034538
C -2.043063 0.143328 0.317573
C 4.522340 -1.803366 -0.202498
C -3.367293 0.275945 -0.239683
C -4.439886 -0.490649 0.367453
C -1.804922 -0.696148 1.410701
C -4.172657 -1.346196 1.483502
C -2.875360 -1.440059 1.989549
C -5.748627 -0.346485 -0.200537
C -5.942118 0.504033 -1.289672
C -4.816255 1.216884 -1.815025
H 2.922297 2.688109 1.126056
H 2.617951 -2.639873 -0.732733
H 0.449954 2.771170 0.761476
H 6.324895 -0.720791 0.392536
H 4.896186 2.216766 1.921011
H 6.393799 1.451632 1.306966
H 5.061577 -2.732029 -0.416000
H -0.795200 -0.784418 1.822489
H -4.993204 -1.919100 1.930459
H -2.663140 -2.090693 2.844835
H -6.583669 -0.910024 0.232071
H 0.800660 -2.163907 -1.273061
H -6.929044 0.634684 -1.744632
H -4.942829 1.891068 -2.671011
H 4.677855 2.925534 -0.467819


